SCHEMBL31217893

SCHEMBL31217893

C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCOCC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.48
▸ CYP1A2 P05177 1/20 0.46
▸ CASP3 P42574 2/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ TNF P01375 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CTSK P43235 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23106599 0.98 PTPN1 (0.47) PTPN1CYP1A2CASP3EPHX2TNF
SCHEMBL23106467 0.98 PTPN1 (0.47) PTPN1CYP1A2CASP3EPHX2TNF
SCHEMBL31559098 0.93 CASP3 (0.51) PTPN1CYP1A2CASP3CTSK
SCHEMBL31217961 0.89 CASP3 (0.51) PTPN1CASP3EPHX2KMT2A
SCHEMBL29270865 0.88 CTSL (0.55) PTPN1CASP3KMT2ACTSK
SCHEMBL29270866 0.88 CTSL (0.55) PTPN1CASP3KMT2ACTSK
SCHEMBL31214742 0.88 LMNA (0.52) CYP1A2KMT2ACTSK
SCHEMBL30715210 0.87 CASP3 (0.47) PTPN1CASP3CTSK
SCHEMBL31217786 0.87 CASP3 (0.49) PTPN1CASP3EPHX2KMT2A
SCHEMBL31217931 0.87 CASP3 (0.49) PTPN1CASP3EPHX2KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024235132-A9 COMPOUND HAVING BIOLOGICAL ACTIVITY, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2025-06-19 — — WO disclosed
WO-2024235128-A9 ANTIBODY-DRUG CONJUGATE AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2025-06-19 — — WO disclosed
WO-2024235132-A1 COMPOUND HAVING BIOLOGICAL ACTIVITY, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-11-21 — — WO disclosed
WO-2024235128-A1 ANTIBODY-DRUG CONJUGATE AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-11-21 — — WO disclosed
Send feedback